SCHEMBL2168279

SCHEMBL2168279

COc1ccc2nc(Cl)c(C#N)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
KCNA5 P22460 4/20 0.48
KCNH2 Q12809 4/20 0.48
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
CDK2 P24941 1/20 0.46
CLK1 P49759 1/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
SQOR Q9Y6N5 1/20 0.43
ADORA2B P29275 3/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2A P29274 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
CYP1A2 P05177 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2168476 0.89 KDM4E (0.57) KDM4EMAPTNPSR1CDK2CLK1
SCHEMBL3481271 0.82 KDM4E (0.55) KDM4EMAPTNPSR1CDK2CLK1
SCHEMBL14916907 0.80 KDM4E (0.54) KDM4EKCNA5KCNH2MAPTNPSR1
SCHEMBL2168475 0.80 KCNA5 (0.45) KDM4EKCNA5KCNH2MAPTNPSR1
SCHEMBL3482350 0.79 KCNA5 (0.46) KDM4EKCNA5KCNH2MAPTNPSR1
SCHEMBL3481486 0.79 KCNA5 (0.46) KDM4EKCNA5KCNH2MAPTNPSR1
SCHEMBL2170031 0.79 KCNA5 (0.46) KDM4EKCNA5KCNH2MAPTNPSR1
SCHEMBL3482013 0.79 KDM4E (0.56) KDM4EMAPTNPSR1CDK2CLK1
SCHEMBL1386006 0.79 KCNA5 (0.66) KDM4EKCNA5KCNH2MAPTNPSR1
SCHEMBL13401016 0.79 KDM4E (0.56) KDM4EMAPTNPSR1CDK2CLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4722851-B2 2011-07-13 JP claimed
US-7692017-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US claimed
EP-1667683-A4 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-04-29 EP claimed
US-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias MERCK & CO., INC. (US) 2007-02-22 US claimed
CN-1856307-A Quinoline potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN claimed
EP-1667683-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030129-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
US-7692017-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7692017-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7692017-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
EP-1667683-A4 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-04-29 EP disclosed
US-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias MERCK & CO., INC. (US) 2007-02-22 US disclosed
US-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias MERCK & CO., INC. (US) 2007-02-22 US disclosed
US-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias MERCK & CO., INC. (US) 2007-02-22 US disclosed
CN-1856307-A Quinoline potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN disclosed
EP-1667683-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030129-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias KCNH2, KCNJ2, KCNQ1 KDM4E 1076/4885KCNA5 28/4885KCNH2 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.